4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine

C10H7Cl2N5O3 — CID 80860682

IUPAC4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H7Cl2N5O3/c1-13-9-14-8(12)15-10(16-9)20-7-3-2-5(11)4-6(7)17(18)19/h2-4H,1H3,(H,13,14,15,16)
InChIKeyPNGCSVGETHFQCX-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.92
Rot. Bonds4

About 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80860682) has the molecular formula C10H7Cl2N5O3 and a molecular weight of 316.10 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80860682
Molecular FormulaC10H7Cl2N5O3
Molecular Weight316.10 g/mol
Exact Mass314.99
IUPAC Name4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H7Cl2N5O3/c1-13-9-14-8(12)15-10(16-9)20-7-3-2-5(11)4-6(7)17(18)19/h2-4H,1H3,(H,13,14,15,16)
InChIKeyPNGCSVGETHFQCX-UHFFFAOYSA-N
XLogP2.92
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
4-chloro-6-(4-chloro-2-methylphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80869238
4-chloro-6-(3-fluoro-4-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80873471
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
2-chloro-4-(5-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859158
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755
2-(4-chloro-2-nitrophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554753
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)oxy]-3-nitrobenzonitrile
CID 80872949
4-(3-bromo-5-nitrophenoxy)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 103589659
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-3-fluorobenzonitrile
CID 107669785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine (CID 80860682) is 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Oc2ccc(Cl)cc2[N+](=O)[O-])n1.
What is the InChIKey of 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is PNGCSVGETHFQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N5O3/c1-13-9-14-8(12)15-10(16-9)20-7-3-2-5(11)4-6(7)17(18)19/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 316.10 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-2-nitrophenoxy)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80860682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).